RefChem:1065307
TL;DR: RefChem:1065307 (CAS 124068-73-1) is a chemical compound with molecular formula C28H36N4O10 and molecular weight 588.24316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;1-cyclohexyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-5-ium-2-one;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: 2H-Pyrido(1,2-a)pyrimidinium, 1-cyclohexyl-3-hydroxy-4-((4-methyl-1-piperazinyl)methyl)-2-oxo-, hydroxide, inner salt, (Z)-2-butenedioate (1:2) (salt), (E)-but-2-enedioic acid; 1-cyclohexyl-3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-5-ium-2-one; (Z)-4-hydroxy-4-oxobut-2-enoate
Technical Specifications
| Molecular Formula | C28H36N4O10 |
| Molecular Weight | 588.24316 g/mol |
| XLogP | -0.3659 |
| Topological Polar Surface Area (TPSA) | 203.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 588.24316 Da |
| Heavy Atoms | 42 |
| Complexity | 798.0 |
| SMILES | CN1CCN(CC1)CC2=C(C(=O)N(C3=CC=CC=[N+]32)C4CCCCC4)O.C(=C/C(=O)O)\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
| InChIKey | LNHBJMZGJOFEMS-VEXNDCCSSA-N |
Chemical Property Profile of RefChem:1065307
Property Insights of RefChem:1065307
The XLogP value of -0.3659 indicates that RefChem:1065307 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 203.0 Ų indicates high polarity, suggesting RefChem:1065307 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1065307 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1065307?
The CAS number of RefChem:1065307 is 124068-73-1.
What is the molecular formula of RefChem:1065307?
The molecular formula of RefChem:1065307 is C28H36N4O10.
What is the molecular weight of RefChem:1065307?
The molecular weight of RefChem:1065307 is 588.24316 g/mol.
Where can I buy RefChem:1065307?
You can request a quote for RefChem:1065307 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1065307?
Yes, CoreyChem provides custom synthesis services for RefChem:1065307 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.